Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.97 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.97 |
| ▸ | MAPT | P10636 | 6/20 | 0.97 |
| ▸ | RAB9A | P51151 | 5/20 | 0.97 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.97 |
| ▸ | APP | P05067 | 3/20 | 0.97 |
| ▸ | INSR | P06213 | 2/20 | 0.97 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.97 |
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | ATP4A | P20648 | 8/20 | 0.54 |
| ▸ | ATP4B | P51164 | 8/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL8389954 | 1.00 | MEN1 (0.97) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL29433017 | 0.99 | MEN1 (1.00) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL476579 | 0.99 | MEN1 (1.00) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL29413750 | 0.99 | MEN1 (1.00) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL476578 | 0.99 | MEN1 (1.00) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| Iodide SCHEMBL8390905 | 0.97 | MEN1 (0.97) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| Iodide SCHEMBL8390903 | 0.97 | MEN1 (0.97) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL9841114 | 0.90 | MEN1 (0.84) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL31447671 | 0.90 | MEN1 (0.84) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 | |
| SCHEMBL29409733 | 0.90 | MEN1 (0.84) | MEN1KMT2AMAPTRAB9ASMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6001331-A | INTRODUCING INTO PATIENT BENZYLTHIAZOL-3-IUM DERIVATIVES OF GIVEN FORMULA; ALLOWING TIME FOR COMPOUND TO ASSOCIATE WITH AMYLOID; DETECTING THE LABELED COMPOUND ASSOCIATED WITH AMYLOID DEPOSITS | WARNER-LAMBERT COMPANY (US) | 1999-12-14 | — | — | US | disclosed |
| WO-1997026919-A2 | METHOD OF IMAGING AMYLOID DEPOSITS | WARNER-LAMBERT COMPANY (US) | 1997-07-31 | — | — | WO | disclosed |